| SpectraBase Compound ID | BU0QtZKH4Ni |
|---|---|
| InChI | InChI=1S/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b35-34+,37-36+;; |
| InChIKey | XPRMZBUQQMPKCR-XGQONITOSA-L |
| Mol Weight | 681.64853856 g/mol |
| Molecular Formula | C32H21N5Na2O6S2 |
| Exact Mass | 681.072864 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1rHwwCoKxH0 |
|---|---|
| Name | Acid Blue 113 |
| Catalog Number | 210439 |
| Brand | ALDRICH |
| CAS Registry Number | 3351-05-1 |
| Copyright | Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H21N5Na2O6S2 |
| Formula (reported) | C32H21N5Na2O6S2 |
| InChI | InChI=1S/C32H23N5O6S2.2Na/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43;;/h1-20,33H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b35-34+,37-36+;; |
| InChIKey | XPRMZBUQQMPKCR-XGQONITOSA-L |
| Wiley ID | SIAL_RAMAN_004586 |